SCHEMBL11200352

SCHEMBL11200352

O=C(CCN1CCOCC1)NCCC(Nc1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ HSD17B10 Q99714 2/20 0.52
▸ POLB P06746 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TERT O14746 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ EPHX2 P34913 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11198647 0.94 MEN1 (0.55) LMNACYP2C19HSD17B10POLBKMT2A
SCHEMBL11200538 0.89 SMN1; SMN2 (0.57) LMNACYP2C19POLBTSHRKMT2A
SCHEMBL11198673 0.89 ALDH1A1 (0.57) LMNAPOLBTSHRKMT2AALDH1A1
SCHEMBL11196192 0.82 POLB (0.49) LMNAPOLBTSHRKMT2AALDH1A1
SCHEMBL11200546 0.82 SMN1; SMN2 (0.52) LMNACYP2C19POLBTSHRKMT2A
SCHEMBL11196667 0.82 USP2 (0.50) LMNACYP2C19POLBTSHRKMT2A
SCHEMBL11198691 0.80 LMNA (0.50) LMNACYP2C19ALDH1A1SMN1; SMN2EPHX2
SCHEMBL11196859 0.79 LMNA (0.49) LMNAPOLBTSHRALDH1A1NPSR1
SCHEMBL11200409 0.79 SMN1; SMN2 (0.49) LMNACYP2C19TSHRKMT2AALDH1A1
SCHEMBL11200290 0.77 CNR1 (0.44) LMNAALDH1A1SMN1; SMN2HPGDEPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4379926-A DIURETICS AYERST, MCKENNA & HARRISON LTD. (CA) 1983-04-12 — — US disclosed
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